N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide

C32H37N5O2 — CID 141497407

IUPACN-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide
SMILESCC1(C)CC(NC(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(=O)c2nc3ccccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C32H37N5O2/c1-31(2)19-24(20-32(3,4)37-31)33-29(38)27(36-30(39)28-34-25-12-8-9-13-26(25)35-28)18-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-17,24,27,37H,18-20H2,1-4H3,(H,33,38)(H,34,35)(H,36,39)
InChIKeyIRWDLSUYLZXQMZ-UHFFFAOYSA-N
MW523.68 g/mol
LogP5.00
Rot. Bonds7

About N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide

N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide (PubChem CID 141497407) has the molecular formula C32H37N5O2 and a molecular weight of 523.68 g/mol. Its IUPAC name is N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide
PubChem CID141497407
Molecular FormulaC32H37N5O2
Molecular Weight523.68 g/mol
Exact Mass523.29
IUPAC NameN-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide
SMILESCC1(C)CC(NC(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(=O)c2nc3ccccc3[nH]2)CC(C)(C)N1
InChIInChI=1S/C32H37N5O2/c1-31(2)19-24(20-32(3,4)37-31)33-29(38)27(36-30(39)28-34-25-12-8-9-13-26(25)35-28)18-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-17,24,27,37H,18-20H2,1-4H3,(H,33,38)(H,34,35)(H,36,39)
InChIKeyIRWDLSUYLZXQMZ-UHFFFAOYSA-N
XLogP5.00
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide (CID 141497407) is N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide is CC1(C)CC(NC(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(=O)c2nc3ccccc3[nH]2)CC(C)(C)N1.
What is the InChIKey of N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide?
The InChIKey is IRWDLSUYLZXQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O2/c1-31(2)19-24(20-32(3,4)37-31)33-29(38)27(36-30(39)28-34-25-12-8-9-13-26(25)35-28)18-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-17,24,27,37H,18-20H2,1-4H3,(H,33,38)(H,34,35)(H,36,39).
What are the key properties of N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide?
N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide has a molecular weight of 523.68 g/mol, XLogP of 5.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-(4-phenylphenyl)-1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-yl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 141497407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).